==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER CYTOKINE 18-OCT-94 1IRP . COMPND 2 MOLECULE: INTERLEUKIN-1 RECEPTOR ANTAGONIST; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR B.J.STOCKMAN,T.A.SCAHILL,N.A.STRAKALAITIS . 153 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9325.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 104 68.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 59 38.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 1.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 2.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES . 40 26.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 6 3.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 1 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 3 3 1 5 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 LADDERS PER SHEET . # RESIDUE AA STRUCTURE BP1 BP2 ACC N-H-->O O-->H-N N-H-->O O-->H-N TCO KAPPA ALPHA PHI PSI X-CA Y-CA Z-CA 1 1 A M 0 0 10 0, 0.0 60,-0.1 0, 0.0 57,-0.1 0.000 360.0 360.0 360.0 96.0 -9.2 5.9 -1.2 2 2 A R - 0 0 85 58,-0.4 2,-2.1 88,-0.0 10,-0.1 -0.979 360.0-135.7-135.6 123.6 -11.8 8.8 -0.4 3 3 A P - 0 0 56 0, 0.0 2,-1.9 0, 0.0 84,-0.0 -0.378 64.2 -84.8 -78.8 69.5 -13.2 11.5 -2.8 4 4 A S + 0 0 62 -2,-2.1 2,-0.5 2,-0.0 5,-0.1 -0.454 64.3 176.6 67.1 -74.0 -12.7 14.5 -0.2 5 5 A G + 0 0 49 -2,-1.9 2,-0.3 2,-0.0 -3,-0.0 -0.667 61.2 23.6 79.0-119.5 -16.1 14.0 1.8 6 6 A R S > S- 0 0 212 -2,-0.5 3,-1.1 3,-0.2 2,-0.1 -0.642 92.4-115.1 -80.8 133.3 -16.2 16.5 4.7 7 7 A K T 3 S+ 0 0 151 -2,-0.3 -1,-0.1 1,-0.2 3,-0.1 -0.432 93.6 3.7 -75.8 138.2 -13.9 19.7 4.2 8 8 A S T 3 S+ 0 0 135 1,-0.1 2,-0.8 -2,-0.1 -1,-0.2 0.655 95.6 130.1 58.3 23.2 -10.9 20.1 6.6 9 9 A S S < S- 0 0 58 -3,-1.1 -3,-0.2 -5,-0.1 -1,-0.1 -0.767 79.5 -70.8-112.4 86.5 -11.8 16.7 8.3 10 10 A K - 0 0 111 -2,-0.8 2,-0.3 1,-0.1 -1,-0.1 0.837 43.8-142.9 28.6 97.8 -8.6 14.5 8.5 11 11 A M - 0 0 115 1,-0.1 2,-1.6 2,-0.0 -1,-0.1 -0.646 20.5-127.2 -73.7 133.2 -7.3 13.2 5.0 12 12 A Q + 0 0 50 -2,-0.3 37,-2.0 139,-0.1 2,-0.5 -0.224 42.2 171.2 -84.1 57.3 -5.9 9.6 5.7 13 13 A A E -A 48 0A 11 -2,-1.6 139,-3.3 35,-0.2 2,-0.3 -0.487 12.1-170.7 -76.5 114.7 -2.4 10.3 4.0 14 14 A F E -AB 47 151A 20 33,-2.7 33,-1.7 -2,-0.5 2,-0.3 -0.815 17.3-179.5-119.2 149.0 -0.1 7.4 4.7 15 15 A R E - B 0 150A 87 135,-2.9 135,-2.6 -2,-0.3 2,-0.3 -0.964 11.8-151.6-139.2 151.0 3.7 6.6 4.2 16 16 A I E + B 0 149A 14 -2,-0.3 8,-2.0 8,-0.3 2,-0.2 -0.974 26.3 139.2-135.1 141.0 5.9 3.4 5.0 17 17 A W E -CB 23 148A 68 131,-2.2 131,-1.6 -2,-0.3 2,-0.3 -0.788 37.4-116.4-151.9-168.1 9.6 2.9 5.9 18 18 A D E >> -C 22 0A 17 4,-2.8 4,-1.9 129,-0.2 3,-0.7 -0.972 22.4-119.2-150.5 145.7 11.9 0.9 8.3 19 19 A V T 34 S+ 0 0 94 -2,-0.3 128,-0.1 1,-0.3 4,-0.0 0.602 100.5 79.7 -55.8 -19.2 14.3 1.8 11.2 20 20 A N T 34 S- 0 0 128 1,-0.1 -1,-0.3 2,-0.0 0, 0.0 0.173 126.6 -86.4 -77.4 25.5 17.6 0.4 9.5 21 21 A Q T <4 S+ 0 0 118 -3,-0.7 2,-0.3 1,-0.3 -2,-0.2 0.975 91.7 132.3 64.4 63.3 17.6 3.7 7.4 22 22 A K E < -C 18 0A 21 -4,-1.9 -4,-2.8 13,-0.0 2,-0.3 -0.990 32.5-175.2-146.5 145.9 15.3 2.3 4.6 23 23 A T E -CD 17 34A 39 11,-2.0 11,-0.9 -2,-0.3 2,-0.4 -0.952 24.5-126.2-142.9 154.7 12.1 3.9 3.0 24 24 A F E + D 0 33A 10 -8,-2.0 2,-0.3 -2,-0.3 -8,-0.3 -0.914 38.7 166.5-102.3 133.8 9.3 3.0 0.4 25 25 A Y E - D 0 32A 25 7,-1.6 7,-2.6 -2,-0.4 2,-0.2 -0.922 32.5-128.1-156.5 135.3 8.9 5.5 -2.5 26 26 A L E + D 0 31A 21 -2,-0.3 5,-0.2 5,-0.3 -2,-0.0 -0.487 27.4 165.8 -77.0 136.3 7.1 5.7 -6.0 27 27 A R S S- 0 0 121 3,-1.2 -1,-0.1 -2,-0.2 4,-0.1 0.719 73.7 -38.7-112.6 -68.7 9.2 6.6 -9.1 28 28 A N S S- 0 0 149 2,-0.3 -2,-0.1 0, 0.0 3,-0.0 0.557 128.5 -7.6-123.9 -70.4 7.0 5.8 -12.3 29 29 A N S S+ 0 0 82 1,-0.1 52,-0.3 51,-0.0 2,-0.3 0.329 121.0 47.3-115.7 6.8 5.1 2.4 -11.9 30 30 A Q S S- 0 0 49 50,-0.1 -3,-1.2 -5,-0.1 2,-0.9 -1.000 73.0-117.2-152.2 151.2 6.4 0.8 -8.5 31 31 A L E -D 26 0A 5 -2,-0.3 101,-1.6 -5,-0.2 -5,-0.3 -0.757 42.3-147.2 -84.7 103.2 7.1 1.6 -4.8 32 32 A V E -DE 25 131A 13 -7,-2.6 -7,-1.6 -2,-0.9 2,-0.3 -0.384 14.0-118.3 -78.6 153.5 11.0 1.0 -4.6 33 33 A A E -D 24 0A 1 97,-2.0 2,-1.5 94,-0.2 96,-0.3 -0.736 60.3 -20.6-102.0 147.4 12.6 -0.4 -1.4 34 34 A G E S-D 23 0A 5 -11,-0.9 -11,-2.0 -2,-0.3 94,-0.1 -0.538 120.3 -21.3 73.1 -91.1 15.2 0.8 1.2 35 35 A Y S S+ 0 0 127 -2,-1.5 93,-0.2 -13,-0.2 -1,-0.2 -0.242 75.2 139.5-153.5 66.2 17.3 3.5 -0.5 36 36 A L - 0 0 66 1,-0.2 2,-0.4 91,-0.1 92,-0.1 0.849 68.6 -34.6 -75.2 -96.4 17.4 3.6 -4.5 37 37 A Q + 0 0 106 92,-0.1 -1,-0.2 1,-0.0 -5,-0.1 -0.986 51.9 154.6-138.6 134.6 17.2 7.3 -5.9 38 38 A G + 0 0 41 -2,-0.4 3,-0.5 -3,-0.1 5,-0.1 -0.569 13.5 179.0-151.1 81.8 15.5 10.6 -4.9 39 39 A P S S- 0 0 110 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 0.887 79.9 -5.1 -59.1 -54.9 17.5 13.8 -6.2 40 40 A N S S- 0 0 153 0, 0.0 3,-0.1 0, 0.0 0, 0.0 -0.315 116.2 -73.2-138.3 52.5 15.4 16.9 -5.0 41 41 A V S S+ 0 0 130 -3,-0.5 2,-0.6 1,-0.2 -3,-0.0 0.943 78.6 149.9 54.9 56.1 12.2 15.2 -3.4 42 42 A N + 0 0 145 1,-0.1 -1,-0.2 2,-0.0 0, 0.0 -0.651 51.0 73.4-112.8 70.6 10.5 14.1 -6.7 43 43 A L - 0 0 44 -2,-0.6 -1,-0.1 -5,-0.1 -17,-0.1 0.433 62.3-167.4-144.0 -64.7 8.6 11.0 -5.3 44 44 A E - 0 0 104 1,-0.1 -19,-0.1 -19,-0.1 -2,-0.0 0.993 1.6-171.9 55.7 83.2 5.5 11.8 -3.0 45 45 A E + 0 0 18 -21,-0.1 2,-0.6 17,-0.1 -1,-0.1 0.251 35.4 134.9 -83.4 10.8 4.5 8.5 -1.2 46 46 A K + 0 0 47 -33,-0.1 16,-1.9 -31,-0.1 17,-0.4 -0.513 27.0 171.5 -73.6 114.5 1.2 9.9 0.4 47 47 A I E -AF 14 61A 10 -33,-1.7 -33,-2.7 -2,-0.6 2,-0.6 -0.921 35.4-117.1-122.2 143.1 -1.6 7.3 -0.2 48 48 A D E -AF 13 60A 12 12,-0.8 12,-1.6 -2,-0.3 2,-0.6 -0.722 26.7-150.4 -89.2 117.7 -5.3 7.4 1.4 49 49 A V E - F 0 59A 18 -37,-2.0 10,-0.2 -2,-0.6 6,-0.0 -0.748 15.8-177.3 -88.3 115.9 -5.8 4.3 3.8 50 50 A V E - F 0 58A 15 8,-2.2 8,-1.8 -2,-0.6 2,-0.2 -0.974 10.6-154.6-115.7 123.0 -9.5 3.2 4.0 51 51 A P E - F 0 57A 53 0, 0.0 6,-0.3 0, 0.0 5,-0.2 -0.605 18.5-140.6 -94.4 158.3 -10.5 0.1 6.4 52 52 A I S S- 0 0 61 4,-2.5 5,-0.1 -2,-0.2 42,-0.1 0.955 77.0 -64.2 -75.4 -54.5 -13.4 -2.5 6.4 53 53 A E S S+ 0 0 132 3,-0.3 2,-1.9 40,-0.1 4,-0.0 -0.132 133.8 45.5-161.2 -76.5 -14.0 -2.4 10.2 54 54 A P S S- 0 0 100 0, 0.0 2,-2.0 0, 0.0 -2,-0.1 -0.403 124.8 -82.2 -81.2 72.7 -10.7 -3.8 12.0 55 55 A H S S+ 0 0 67 -2,-1.9 2,-0.1 1,-0.1 49,-0.1 -0.122 98.9 112.1 66.1 -41.6 -8.1 -1.8 9.8 56 56 A A + 0 0 12 -2,-2.0 -4,-2.5 -5,-0.2 -3,-0.3 -0.421 39.2 85.3 -68.9 130.8 -8.0 -4.2 6.7 57 57 A L E S-FG 51 101A 5 44,-1.3 44,-2.4 -6,-0.3 2,-0.2 -0.712 75.4 -43.0 177.2-115.0 -9.4 -3.0 3.2 58 58 A F E -F 50 0A 0 -8,-1.8 -8,-2.2 42,-0.2 2,-0.3 -0.787 34.7-126.8-141.2 175.0 -7.6 -0.8 0.4 59 59 A L E +FH 49 68A 6 9,-1.9 9,-1.8 -2,-0.2 2,-0.2 -0.940 27.1 167.3-125.6 144.7 -5.3 2.2 -0.5 60 60 A G E +FH 48 67A 4 -12,-1.6 -12,-0.8 -2,-0.3 -58,-0.4 -0.802 34.7 47.3-166.3 131.8 -5.7 5.3 -3.0 61 61 A I E > > +FH 47 66A 81 5,-2.5 5,-2.2 -2,-0.2 3,-0.7 -0.766 31.3 171.8 152.8 -94.4 -4.3 8.8 -4.2 62 62 A H T 3 5S- 0 0 14 -16,-1.9 2,-1.5 1,-0.2 -15,-0.1 0.992 90.1 -36.6 55.2 68.5 -0.4 9.3 -4.8 63 63 A G T 3 5S+ 0 0 77 -17,-0.4 -1,-0.2 1,-0.1 2,-0.1 -0.415 139.7 6.8 84.0 -65.1 -0.7 12.8 -6.4 64 64 A G T < 5S- 0 0 49 -2,-1.5 -2,-0.1 -3,-0.7 -1,-0.1 -0.498 123.3 -42.6-159.6 88.1 -4.1 12.4 -8.3 65 65 A K T 5S+ 0 0 65 1,-0.2 19,-2.0 -2,-0.1 2,-0.6 0.882 72.4 153.1 60.3 53.7 -6.4 9.3 -8.2 66 66 A M E < -HI 61 83A 50 -5,-2.2 -5,-2.5 17,-0.2 2,-0.5 -0.913 32.7-149.6-111.5 106.4 -3.9 6.3 -8.3 67 67 A C E -HI 60 82A 5 15,-2.8 15,-2.1 -2,-0.6 2,-0.8 -0.690 5.6-140.6 -84.3 121.0 -5.5 3.3 -6.5 68 68 A L E +HI 59 81A 3 -9,-1.8 -9,-1.9 -2,-0.5 2,-0.2 -0.782 44.5 148.0 -85.4 111.5 -3.2 0.7 -4.6 69 69 A S E - I 0 80A 0 11,-2.0 11,-2.1 -2,-0.8 2,-1.0 -0.802 61.0-100.8-133.6 166.6 -4.8 -2.7 -5.4 70 70 A C E - I 0 79A 0 -2,-0.2 9,-0.2 9,-0.2 30,-0.1 -0.796 54.9-158.6 -92.8 89.6 -3.7 -6.4 -5.9 71 71 A V E - I 0 78A 48 7,-1.8 2,-0.7 -2,-1.0 7,-0.6 -0.284 14.4-117.6 -79.1 158.5 -4.0 -6.2 -9.8 72 72 A K E + I 0 77A 103 5,-0.2 2,-0.6 26,-0.1 5,-0.2 -0.836 26.0 178.6 -99.6 110.6 -4.4 -9.3 -12.2 73 73 A S E > - I 0 76A 85 3,-2.2 2,-0.9 -2,-0.7 3,-0.8 -0.494 65.9 -82.2-102.1 61.9 -1.4 -9.8 -14.8 74 74 A G T 3 S- 0 0 64 -2,-0.6 -1,-0.1 1,-0.3 0, 0.0 -0.697 114.0 -3.4 78.1-103.7 -2.9 -13.0 -16.4 75 75 A D T 3 S+ 0 0 151 -2,-0.9 -1,-0.3 -3,-0.1 -2,-0.0 0.918 129.7 64.1 -83.5 -47.3 -1.9 -15.9 -14.0 76 76 A E E < -I 73 0A 55 -3,-0.8 -3,-2.2 -4,-0.1 2,-0.3 -0.112 63.1-158.9 -77.3 161.3 0.2 -13.7 -11.5 77 77 A T E +I 72 0A 0 -5,-0.2 2,-0.2 57,-0.2 -5,-0.2 -0.922 17.0 166.0-145.1 124.2 -1.0 -10.7 -9.2 78 78 A R E -I 71 0A 81 -7,-0.6 -7,-1.8 -2,-0.3 2,-0.4 -0.784 45.7 -76.6-130.8 171.1 1.2 -7.9 -7.7 79 79 A L E +I 70 0A 2 53,-0.3 2,-0.3 -2,-0.2 -9,-0.2 -0.591 57.5 171.4 -73.5 123.9 0.8 -4.5 -5.9 80 80 A Q E -I 69 0A 39 -11,-2.1 -11,-2.0 -2,-0.4 2,-1.0 -0.990 40.1-134.2-139.8 146.8 -0.0 -1.7 -8.5 81 81 A L E -I 68 0A 13 -52,-0.3 2,-0.3 -2,-0.3 -13,-0.2 -0.766 35.7-170.5 -96.1 83.3 -1.1 2.0 -8.5 82 82 A E E -I 67 0A 63 -15,-2.1 -15,-2.8 -2,-1.0 2,-0.8 -0.600 27.4-114.0 -80.3 138.7 -4.0 1.8 -11.2 83 83 A A E -I 66 0A 73 -2,-0.3 2,-0.9 -17,-0.2 -17,-0.2 -0.592 27.7-154.5 -77.7 107.2 -5.5 5.1 -12.5 84 84 A V - 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